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DocumentationIdentifier: MM165692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165692 |
| SMILES |
CC(CN)CCNC=O
|
| InChIKey |
ORVSUSREQFJQDI-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92792
Similarity: 0.9063
Similarity to MM92792
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402348
Similarity: 0.8788
Similarity to MM402348
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86342
Similarity: 0.8235
Similarity to MM86342
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9032 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
